[pi*] Orbital system of alternating phenyl and ethynyl groups: Measurements and calculations

Article Abstract:

The temporary anion state energies with [pi*] virtual orbital energies (VOEs) of a series of alternating phenyl-ethynyl compounds were studied by means of electron transmission microscopy. DFT calculations show that in the absence of scaling, HOMO-LUMO gaps are in substantial disagreement with the gas-phase data.

Spectra, Phenyl compounds

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A universal criterion of melting

Article Abstract:

Melting is analyzed dynamically as a problem of localization at a liquid-solid interface. A Lindermann-like criterion of melting is derived in terms of particular vibrational amplitudes, which turn out to equal a universal quotient (about one-tenth) of the molecular spacing, at the interface.

Analysis, Melting points, Melting

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